2-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane

C16H23N — CID 55111676

IUPAC2-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane
SMILESc1ccc2c(c1)CCCC2C1CCCCCN1
InChIInChI=1S/C16H23N/c1-2-11-16(17-12-5-1)15-10-6-8-13-7-3-4-9-14(13)15/h3-4,7,9,15-17H,1-2,5-6,8,10-12H2
InChIKeyMFKIRAZMTUXOBY-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.64
Rot. Bonds1

About 2-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane

2-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane (PubChem CID 55111676) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane
PubChem CID55111676
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane
SMILESc1ccc2c(c1)CCCC2C1CCCCCN1
InChIInChI=1S/C16H23N/c1-2-11-16(17-12-5-1)15-10-6-8-13-7-3-4-9-14(13)15/h3-4,7,9,15-17H,1-2,5-6,8,10-12H2
InChIKeyMFKIRAZMTUXOBY-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine
CID 13350945
(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidine
CID 125041313
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepane
CID 67829794
(2S)-2-[(1S)-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]pyrrolidine
CID 122456694
2-(8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine
CID 105469179
(4aS,7aS)-6-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678936
(4aS,7aS)-6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678925
1-cyclohex-2-en-1-yl-1,2,3,4-tetrahydronaphthalene
CID 123727569
1,2,2a,3,4,8b-hexahydrocyclobuta[c]isoquinoline
CID 154316828
2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)piperidine
CID 54943160
(2R)-2-[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]pyrrolidine
CID 129015917
8-pyrrolidin-2-yl-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 118008523

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane?
The IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane (CID 55111676) is 2-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane.
What is the SMILES notation for 2-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane?
The canonical SMILES for 2-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane is c1ccc2c(c1)CCCC2C1CCCCCN1.
What is the InChIKey of 2-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane?
The InChIKey is MFKIRAZMTUXOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-2-11-16(17-12-5-1)15-10-6-8-13-7-3-4-9-14(13)15/h3-4,7,9,15-17H,1-2,5-6,8,10-12H2.
What are the key properties of 2-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane?
2-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane has a molecular weight of 229.37 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydronaphthalen-1-yl)azepane is sourced from PubChem (CID 55111676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).